N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide

C14H19N5OS — CID 94801495

IUPACN-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide
SMILESCC[C@H](C)Sc1ccc(NC(=O)Cn2cnnn2)c(C)c1
InChIInChI=1S/C14H19N5OS/c1-4-11(3)21-12-5-6-13(10(2)7-12)16-14(20)8-19-9-15-17-18-19/h5-7,9,11H,4,8H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyXOWWOGSJEGKULI-NSHDSACASA-N
MW305.41 g/mol
LogP2.51
Rot. Bonds6

About N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide

N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 94801495) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID94801495
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide
SMILESCC[C@H](C)Sc1ccc(NC(=O)Cn2cnnn2)c(C)c1
InChIInChI=1S/C14H19N5OS/c1-4-11(3)21-12-5-6-13(10(2)7-12)16-14(20)8-19-9-15-17-18-19/h5-7,9,11H,4,8H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyXOWWOGSJEGKULI-NSHDSACASA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
CID 119758951
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
N-[4-[(2R)-butan-2-yl]sulfanyl-2-methylphenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94816368
4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120590794
(2R)-N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-propan-2-ylsulfonylpropanamide
CID 52510301
2-methyl-N-[4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]benzamide
CID 50975042
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 52896191
N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
CID 119309241
2-[(4-butan-2-ylsulfanyl-2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975677
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide
CID 17470876

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide (CID 94801495) is N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide is CC[C@H](C)Sc1ccc(NC(=O)Cn2cnnn2)c(C)c1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is XOWWOGSJEGKULI-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-11(3)21-12-5-6-13(10(2)7-12)16-14(20)8-19-9-15-17-18-19/h5-7,9,11H,4,8H2,1-3H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide?
N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 94801495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).